4-azanyl-5-(azepan-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one

Systemtic Name: 4-azanyl-5-(azepan-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one Openeye Name: 4-amino-5-(azepan-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one CAS Name: 4-amino-5-(1-azepan-1-iumylidene)-2-phenyl-3-pyridazinone IUPAC Name: 4-amino-5-(azepan-1-ium-1-ylidene)-2-phenylpyridazin-3-one Traditional Name: 4-amino-5-(azepan-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C2C=NN(C(=O)C2N)C3=CC=CC=C3)CC1

Isomeric SMILES

C1CCC[N+](=C2C=NN(C(=O)C2N)C3=CC=CC=C3)CC1

InChI

InChI=1S/C16H21N4O/c17-15-14(19-10-6-1-2-7-11-19)12-18-20(16(15)21)13-8-4-3-5-9-13/h3-5,8-9,12,15H,1-2,6-7,10-11,17H2/q+1